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Substance Name: 2-Buten-1-one, 1-(3-fluorophenyl)-3-(4-(4-fluorophenyl)-1-piperazinyl)-
RN: 76691-08-2
InChIKey: NXJRWRJFMYUQSD-SQFISAMPSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H20-F2-N2-O

Molecular Weight

  • 342.387
 
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Names and Synonyms

Synonyms

  • 1-(3-Fluorophenyl)-3-(4-(4-fluorophenyl)-1-piperazinyl)-2-buten-1-one
  • BRN 4557176

Systematic Name

  • 2-Buten-1-one, 1-(3-fluorophenyl)-3-(4-(4-fluorophenyl)-1-piperazinyl)-

Registry Numbers

CAS Registry Number

  • 76691-08-2

System Generated Number

  • 0076691082

Structure Descriptors

InChI

1S/C20H20F2N2O/c1-15(13-20(25)16-3-2-4-18(22)14-16)23-9-11-24(12-10-23)19-7-5-17(21)6-8-19/h2-8,13-14H,9-12H2,1H3/b15-13-

InChIKey

NXJRWRJFMYUQSD-SQFISAMPSA-N

Smiles

C(=C(/N1CCN(c2ccc(F)cc2)CC1)C)\C(c1cc(F)ccc1)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1gm/kg (1000mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 19, Pg. 695, 1980.